BDBM50448790 CHEMBL3128208

SMILES Cc1cc2c(c(c1)Br)NC(=O)C2=O

InChI Key InChIKey=NPDJRIGMWAQKTQ-UHFFFAOYSA-N

Data  6 KI  3 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50448790   

TargetAldehyde dehydrogenase, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50448790(CHEMBL3128208)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50448790(CHEMBL3128208)
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50448790(CHEMBL3128208)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)